[
  {
    "molid": "mol27534",
    "smiles": "CC(C)(C)NC(=S)NC(C)(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)NC(=S)NC(C)(C)C",
        "std_free_energy": -6.4507598876953125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)NC(=[SH+])NC(C)(C)C",
        "std_free_energy": 9.159366607666016,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]